Structure Database (LMSD)

Common Name
Amoricin
Systematic Name
Synonyms
LM ID
LMPK12140446
Formula
C31H36O6
Exact Mass
Calculate m/z
504.25119
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
CCWDHZOFIHNBIR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H36O6/c1-17(2)8-10-19-14-20(15-25(35-7)27(19)33)24-16-23(32)26-28(34)21-12-13-31(5,6)37-29(21)22(30(26)36-24)11-9-18(3)4/h8-9,12-15,24,33-34H,10-11,16H2,1-7H3
SMILES (Click to copy)
C12C=CC(C)(C)OC1=C(C/C=C(\C)/C)C1OC(C3C=C(OC)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C=1C=2O

Other Databases

METABOLOMICS ID
FL2FADNP0001
PubChem CID
14187653

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 499.96
Topological Polar Surface Area 89.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.30
Molar Refractivity 145.61

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Updated at
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